0 B10R1.17 C#CCOc1cccnc1 AB61421 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 C#CCOc1ccncc1 AB61423 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 CNCCc1cccnc1 AB10676 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 CNCCc1ccncc1 AB02055 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 c1c(cncn1)CCC=O AB57646 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,0,0,0,0,0|0,0,2]=2 8 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.17 c1ccnc(c1)CCCO PB12987 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 c1cnc(nc1)CCC=O AB57644 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.17 c1cnc(nc1)NCCN AB49586 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.17 c1cnccc1CCC=O AB49299 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.17 c1cnccc1CCCN AB43583 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.17 c1cncnc1CCC=O AB57649 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.8 C#CCc1ccccn1 AB73234 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 CNCc1ccnnc1 PB24326 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 CNCc1cnccn1 PB18749 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 CNCc1cncnc1 PB33284 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 CNCc1ncccn1 PB29842 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 c1cnc(nc1)CCN AB55156 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 c1cnccc1CNN PB10342 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 c1cncnc1CCN PB14818 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.8 c1cnncc1CCN AB62610 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.1 CNCCc1ccc(cc1)F AB27731 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.1 CNCCc1ccc(cc1)N AB27726 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,1,0,0,0,0|0,0,2]=3 50 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.1 Cc1cnc(cn1)CCCN AB69908 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.1 c1c(ncc(n1)Cl)CCCN AB69913 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [0,1,0,0,0,0|0,0,2]=3 56 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [0,1,0,0,0,0|0,0,2]=3 57 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [0,1,0,0,0,0|0,0,2]=3 58 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [0,1,0,0,0,0|0,0,2]=3 59 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.1 c1cc(ccc1CCCN)F AB38689 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.1 c1cc(ccc1CCCN)F AB66835 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.1 c1cc(ccc1CCCN)N AB51238 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.1 c1cc(ccc1CCCN)O AB07598 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [0,1,0,0,0,0|0,0,0]=1 66 B11R1.1 c1cc(ccc1OCC#N)Cl PB28971 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.16 CCCC(c1cnccn1)N AB27585 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.16 CN(CCN)c1ccccc1 AB02070 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.16 CN(CCN)c1ccccn1 AB60648 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.16 C[C@@H](c1ccccc1)N=C=O AB00191 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.16 C[C@H](c1ccccc1)N=C=O AB02484 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.17 Cc1ccccc1CCC=O AB42260 [0,1,0,0,0,0|0,0,2]=3 81 B11R1.17 Cc1ccccc1CCCN AB38679 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.17 Cc1ccncc1CCCN AB67853 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [0,1,0,0,0,0|0,0,2]=3 86 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [0,1,0,0,0,0|0,0,2]=3 87 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [0,1,0,0,0,0|0,0,2]=3 88 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.17 c1cncc(c1F)CCCN AB68073 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.24 CCCOc1cccc(n1)Br AB05235 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.24 COCOc1cccc(c1)Br AB72137 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.24 Cc1cc(ccn1)CCCN AB55133 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [0,1,0,0,0,0|0,0,2]=3 98 B11R1.24 Cc1cccc(c1)CCCN AB38680 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.24 Cc1cccc(c1)CCNC AB27735 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.24 Cc1cccc(n1)CCCN AB55096 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.24 c1c(cncc1Br)C#CCO AB43797 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [0,1,0,0,0,0|0,0,2]=3 104 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [0,1,0,0,0,0|0,0,2]=3 106 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [0,1,0,0,0,0|0,0,2]=3 108 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.24 c1cnc(cc1CCCN)Br AB55130 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.24 c1cnc(cc1CCCN)Cl AB55121 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.24 c1cnc(cc1F)CCCN AB68075 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.28 CNCCCc1ccccc1 AB10671 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.28 CNCCOc1ccccn1 AB60653 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.28 c1ccc(cc1)CCCCN AB00942 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.28 c1ccc(cc1)CCCCN AB13248 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.28 c1ccc(cc1)COCCN AB05315 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.28 c1ccc(cc1)NCCCN MB00433 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.28 c1ccnc(c1)OCCCN AB60652 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,1,0,0,0,0|0,0,3]=4 129 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.91 B(\C=C\c1ccccc1)(O)O AB07818 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,1,0,0,0,0|2,0,1]=4 137 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,0,0,1,0,0|2,0,0]=3 138 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,1,0,0|2,0,0]=3 139 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,1,0,0|1,0,2]=4 140 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,1,0,0|2,0,0]=3 141 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,0,0,1,0,0|3,0,0]=4 142 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,1,0,0|1,0,2]=4 143 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,0,1,0,0|2,0,0]=3 144 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,0,0,1,0,0|3,0,0]=4 145 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,0,1,0,0|1,0,0]=2 146 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,0,0,1,0,0|2,0,0]=3 147 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,0,1,0,0|1,0,0]=2 148 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,0,1,0,0|1,0,0]=2 149 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,1,0,0|1,0,2]=4 150 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,1,0,0|1,0,0]=2 151 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,0,0,1,0,0|2,0,0]=3 152 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [0,0,0,1,0,0|3,0,0]=4 153 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,0,0,1,0,0|3,0,0]=4 154 B11R2.20 c1cc2c(nc1)NCCN2 MB05240 [0,0,0,1,0,0|3,0,0]=4 155 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [0,0,0,1,0,0|2,0,0]=3 156 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [0,0,0,1,0,0|2,0,0]=3 157 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,0,0,1,0,0|2,0,0]=3 158 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,0,0,1,0,0|1,0,0]=2 159 B11R2.20 c1cncc2c1CCCN2 AB64133 [0,0,0,1,0,0|2,0,0]=3 160 B11R2.20 c1cncc2c1CCNC2 PB10616 [0,0,0,1,0,0|3,0,0]=4 161 B11R2.20 c1cncc2c1CNCC2 AB48928 [0,0,0,1,0,0|3,0,0]=4 162 B11R2.20 c1cncc2c1NCCC2 AB43638 [0,0,0,1,0,0|2,0,0]=3 163 B11R2.20 c1cncc2c1NCCO2 AB66612 [0,0,0,1,0,0|2,0,0]=3 164 B11R2.20 c1cncc2c1OCCN2 AB43406 [0,0,0,1,0,0|2,0,0]=3 165 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [0,0,0,1,0,0|3,0,0]=4 166 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,0,0,1,0,0|3,0,0]=4 167 B11R2.238 c1cnccc1OC2CC2 MB19994 [0,0,0,1,0,0|3,0,0]=4 168 B9R1.12 CNCCc1cccs1 AB18501 [0,0,0,0,1,0|3,0,0]=4 169 B9R1.12 c1ccn(c1)CCCBr MB00854 [0,0,0,0,1,0|2,0,0]=3 170 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.2 c1c(cncn1)CO PB18631 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 c1cc(nnc1)CO PB30818 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.2 c1cnc(cn1)CO PB21779 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.2 c1cnc(nc1)CO PB12410 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 c1cncnc1CO PB12296 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.2 c1cnncc1CO PB26178 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [1,1,0,0,0,0|0,0,2]=4 186 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [1,1,0,0,0,0|0,0,2]=4 187 B10R1.1 C#CCc1ccc(cc1)F AB61384 [1,1,0,0,0,0|0,0,2]=4 188 B10R1.1 C#CCc1ccc(cc1)I AB73225 [1,1,0,0,0,0|0,0,2]=4 189 B10R1.1 CCCc1ncc(cn1)Cl AB59170 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.1 CCNc1ccc(cn1)Br AB51199 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.1 CCOc1ccc(cn1)Br AB05210 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.1 CCOc1ccc(cn1)N AB09602 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.1 CNCc1ccc(cn1)Br AB49704 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.1 CNCc1ccc(cn1)F AB67668 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.1 CNCc1ccc(cn1)N AB67748 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.1 CNCc1ccc(nc1)Br AB67269 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,1,0,0,0,0|0,0,2]=4 200 B10R1.1 Cc1ccc(cn1)CCN AB55173 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.1 Cc1ccc(cn1)CNC AB63786 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.1 Cc1ccc(nc1)CCN AB31467 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.1 Cc1ccc(nc1)CNC AB67504 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.1 c1c(cnc(n1)CCO)Cl AB59166 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.1 c1cc(ccc1CC#N)F AB00175 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,1,0,0,0,0|0,0,2]=4 207 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,1,0,0,0,0|0,0,2]=4 208 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,1,0,0,0,0|0,0,2]=4 209 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,1,0,0,0,0|0,0,2]=4 210 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,1,0,0,0,0|0,0,0]=2 216 B10R1.1 c1cc(ccc1CNN)Br PB32548 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.1 c1cc(ccc1CNN)F PB20964 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.1 c1cc(ncc1Br)CCN PB20258 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.1 c1cc(ncc1Br)CCO PB14792 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.1 c1cc(ncc1CCN)Br AB45460 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.1 c1cc(ncc1CCN)N AB76809 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.1 c1cc(ncc1F)CCN AB45484 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.1 c1cc(ncc1N)CCN AB67762 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.1 c1cc(ncc1O)CCN AB67805 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.4 CCCc1cncnc1Cl AB55649 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.4 CCOc1c(cccn1)I AB05213 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.4 CCOc1ccncc1Br MB01009 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.4 CNCc1c(cccn1)F PB12566 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.4 CNCc1cccnc1Cl AB53845 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.4 CNCc1cnccc1Br AB67968 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.4 CNCc1cnccc1Cl AB67984 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.4 CNCc1cnccc1F AB68060 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|0,0,2]=4 243 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.4 Cc1ccncc1CCN AB55157 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.4 Cc1ccncc1CNC AB67828 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.4 c1cncc(c1F)CCN AB55177 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.10 C#CCc1cccc(c1)Br AB61399 [1,1,0,0,0,0|0,0,2]=4 263 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [1,1,0,0,0,0|0,0,2]=4 264 B10R1.10 C#CCc1cccc(c1)I AB73228 [1,1,0,0,0,0|0,0,2]=4 265 B10R1.10 CCCc1cccc(n1)N AB03673 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.10 CCCc1ccnc(c1)N AB03633 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.10 CCOc1cc(ccn1)Br AB05209 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.10 CCOc1cc(ccn1)N AB05301 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.10 CCOc1cc(cnc1)Br AB05134 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.10 CCOc1cccc(n1)Br AB05279 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.10 CCOc1cccc(n1)N AB05302 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.10 CCOc1ccnc(c1)N AB09620 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.10 CNCc1cc(ccn1)Br AB40680 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.10 CNCc1cc(ccn1)F AB68057 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.10 CNCc1cc(ccn1)N AB40666 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.10 CNCc1cc(cnc1)Br AB41067 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.10 CNCc1cc(cnc1)F AB67670 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.10 CNCc1cc(cnc1)N AB67751 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.10 CNCc1cccc(n1)Br AB48344 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.10 CNCc1cccc(n1)Cl AB67315 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.10 CNCc1cccc(n1)F AB72833 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.10 CNCc1ccnc(c1)Br AB67272 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.10 CNCc1ccnc(c1)Cl AB25401 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.10 Cc1cc(ccn1)CCN AB55165 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.10 Cc1cc(ccn1)CNC AB53841 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.10 Cc1cc(cnc1)CCN AB55190 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.10 Cc1cc(cnc1)CNC AB67507 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|0,0,2]=4 291 B10R1.10 Cc1cccc(n1)CCN AB17067 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.10 Cc1cccc(n1)CNC AB01381 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.10 Cc1ccnc(c1)CNC AB52584 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.10 c1c(cncc1Br)CCN AB41071 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.10 c1c(cncc1Cl)CCN AB67621 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.10 c1c(cncc1F)CCN AB55166 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.10 c1c(cncc1N)CCN AB67760 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|0,0,2]=4 300 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.10 c1cc(cc(c1)Br)\C=N\O AB03839 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|0,0,2]=4 307 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.10 c1cnc(cc1Br)CCN AB55853 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.10 c1cnc(cc1CCBr)F AB72866 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.10 c1cnc(cc1CCN)Br AB45468 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.10 c1cnc(cc1CCN)F AB55184 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.10 c1cnc(cc1F)CCN AB55195 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.15 CC(c1cccnc1)NC CB11165 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.15 CCC(=O)c1ccccn1 AB01373 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.15 CCC(c1cnccn1)N PB31632 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.18 CC(C)Oc1ccccn1 AB63711 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.18 CC(Cc1ccccn1)N AB12969 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.18 CC(Cc1ccncc1)N AB28531 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.18 CC(Cc1cnccn1)N AB28467 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,1,0,0,0,0|0,0,0]=2 342 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.11 c1cc(sc1)C(CCCl)O AB24970 [0,1,0,0,1,0|2,0,0]=4 346 B10R1.16 Cc1cc(on1)CCCO CB10824 [0,1,0,0,1,0|2,0,0]=4 347 B12R1.1 CNCCCc1ccc(cc1)Br AB38786 [0,2,0,0,0,0|1,0,0]=3 348 B12R1.1 CNCCCc1ccc(cc1)Cl AB38779 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.1 CNCCCc1ccc(cc1)F AB38773 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.1 COCCOc1ccc(cc1)O AB19320 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.1 Cc1ccc(cc1)CCCNC AB38761 [0,2,0,0,0,0|1,0,0]=3 352 B12R1.1 c1c(cnc(n1)NCCCO)Br AB15639 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.1 c1cc(ccc1CCCCN)Cl AB54564 [0,2,0,0,0,0|1,0,0]=3 354 B12R1.1 c1cc(ccc1CCCCN)F AB54561 [0,2,0,0,0,0|1,0,0]=3 355 B12R1.1 c1cc(ccc1CCCCN)O AB07609 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.16 c1cc(ccc1C(CCO)N)Br AB20223 [0,2,0,0,0,0|0,0,0]=2 357 B12R1.16 c1cc(ccc1C(CCO)N)Cl AB14423 [0,2,0,0,0,0|0,0,0]=2 358 B12R1.16 c1cc(ccc1C(CCO)N)F AB14430 [0,2,0,0,0,0|0,0,0]=2 359 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,2,0,0,0,0|0,0,1]=3 361 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,2,0,0,0,0|0,0,1]=3 362 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,2,0,0,0,0|0,0,1]=3 363 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,2,0,0,0,0|0,0,1]=3 364 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,2,0,0,0,0|0,0,1]=3 365 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,2,0,0,0,0|0,0,1]=3 366 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [0,2,0,0,0,0|1,0,1]=4 367 B12R1.49 CC(CN)Oc1ccc(cc1)Br AB38871 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.49 CC(CN)Oc1ccc(cc1)Cl AB38863 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.49 CC(CN)Oc1ccc(cc1)F AB12553 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.49 c1cc(ccc1CC(C#N)O)F AB13917 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,2,0,0,0,0|0,0,0]=2 373 B12R1.69 Cc1cc(c(cn1)CCCN)Cl AB83332 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.69 Cc1cc(c(cn1)CCCN)F AB83052 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.69 Cc1cc(c(nc1)CCCN)C AB82549 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.69 Cc1cc(c(nc1)CCCN)Cl AB83246 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.69 Cc1cc(c(nc1)CCCN)F AB82909 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.69 Cc1cc(cnc1CCCN)Cl AB83242 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.69 Cc1cc(cnc1CCCN)F AB82905 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.69 Cc1cc(ncc1CCCN)C AB82578 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.69 Cc1cc(ncc1CCCN)Cl AB83353 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.69 Cc1cc(ncc1CCCN)F AB83070 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.69 c1c(c(cnc1F)CCCN)Cl AB83194 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.69 c1c(cnc(c1Cl)CCCN)F AB83124 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.69 c1c(cnc(c1F)CCCN)Cl AB83119 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.69 c1cc(c(cc1Cl)Cl)CCCN AB38717 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.69 c1cc(c(cc1F)F)CCCN AB38723 [0,2,0,0,0,0|1,0,0]=3 388 B12R1.69 c1cc(c(cc1N)N)OCCO MB00378 [0,2,0,0,0,0|1,0,0]=3 389 B12R1.71 CCc1ccc(cc1)CCCN AB38698 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [0,2,0,0,0,0|0,0,2]=4 392 B12R1.71 COc1ccc(cc1)CCCN AB07604 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.71 COc1ccc(cc1)CCCO AB00287 [0,2,0,0,0,0|0,0,0]=2 394 B12R1.71 COc1ccc(cn1)CCCN AB55109 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.71 c1cc(ccc1C=O)OCCCl AB01954 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.71 c1cc(ncc1CCCN)C#N AB67424 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.385 Cc1c(cc(cn1)CCCN)Cl AB83316 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.385 Cc1c(cc(cn1)CCCN)F AB83030 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.385 Cc1c(ccc(n1)CCCN)Cl AB83324 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.385 Cc1c(ccc(n1)CCCN)F AB83037 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.385 Cc1cc(cnc1C)CCCN AB82570 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.385 Cc1cc(cnc1Cl)CCCN AB83363 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.385 Cc1cc(cnc1F)CCCN AB83090 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.385 Cc1cc(ncc1C)CCCN AB82564 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.385 Cc1cc(ncc1Cl)CCCN AB83296 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.385 Cc1ccc(nc1C)CCCN AB82573 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.385 Cc1ccc(nc1Cl)CCCN AB83360 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.385 Cc1ccc(nc1F)CCCN AB83084 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.385 Cc1cnc(cc1Cl)CCCN AB83281 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.385 Cc1cnc(cc1F)CCCN AB82960 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.385 c1c(cnc(c1Cl)F)CCCN AB83171 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.385 c1c(cnc(c1Cl)O)CCCN AB84073 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.385 c1c(cnc(c1F)Cl)CCCN AB83222 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.385 c1c(cnc(c1O)Cl)CCCN AB84108 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.385 c1c(ncc(c1Cl)F)CCCN AB83160 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.385 c1c(ncc(c1Cl)O)CCCN AB84017 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.385 c1c(ncc(c1F)Cl)CCCN AB82994 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.385 c1c(ncc(c1N)Cl)CCCN AB83921 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.385 c1c(ncc(c1O)Cl)CCCN AB84049 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.385 c1cc(c(cc1CCCN)F)F AB38731 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.385 c1cc(c(nc1CCCN)Cl)F AB83218 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.385 c1cc(c(nc1CCCN)Cl)O AB84099 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.385 c1cc(c(nc1CCCN)F)Cl AB83179 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.385 c1cc(c(nc1CCCN)O)Cl AB84090 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.30 CN(CCCN)c1ccccc1 AB04605 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.30 CN(CCCN)c1ccccn1 AB60649 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.30 CNCCC(c1ccccc1)O AB06932 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.34 CN(c1ccccc1)C(=O)CO AB13884 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.39 c1ccc(cc1)C(CCN)(F)F AB68672 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.107 c1cc(cnc1)C(CC(=O)O)N AB09204 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N AB17754 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N AB17820 [0,2,0,0,0,0|1,0,1]=4 433 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [0,2,0,0,0,0|0,0,1]=3 434 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [0,2,0,0,0,0|0,0,1]=3 435 B12R1.107 c1ccnc(c1)C(CC(=O)O)N AB23245 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.107 c1ccnc(c1)[C@@H](CC(=O)O)N AB29680 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.107 c1ccnc(c1)[C@H](CC(=O)O)N AB29681 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.107 c1cnccc1C(CC(=O)O)N AB09530 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.107 c1cnccc1[C@@H](CC(=O)O)N AB36081 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.107 c1cnccc1[C@H](CC(=O)O)N AB17832 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl AB14424 [0,2,0,0,0,0|0,0,0]=2 442 B12R1.25 Cc1c(c(ccn1)CCCN)Cl AB83312 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.25 Cc1c(ccnc1CCCN)Cl AB83263 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.25 Cc1c(ccnc1CCCN)F AB82933 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.25 Cc1c(ccnc1Cl)CCCN AB83369 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.25 Cc1c(ccnc1F)CCCN AB82859 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.25 Cc1c(cncc1Cl)CCCN AB83293 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.25 Cc1c(nccc1CCCN)C AB82568 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.25 Cc1ccnc(c1C)CCCN AB82558 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.25 Cc1ccnc(c1Cl)CCCN AB83306 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.25 Cc1cncc(c1C)CCCN AB82561 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.25 Cc1cncc(c1Cl)CCCN AB83275 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.25 Cc1cncc(c1F)CCCN AB82947 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.25 c1c(c(c(cn1)Cl)F)CCCN AB82979 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.25 c1c(c(c(cn1)Cl)O)CCCN AB84037 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.25 c1c(c(c(cn1)F)Cl)CCCN AB83153 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.25 c1c(c(c(cn1)O)Cl)CCCN AB84003 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.25 c1cc(c(c(c1)Cl)Cl)CCCN AB38716 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.25 c1cc(c(c(c1)F)F)CCCN AB38719 [0,2,0,0,0,0|1,0,0]=3 460 B12R1.25 c1cnc(c(c1CCCN)Cl)F AB83166 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.25 c1cnc(c(c1CCCN)Cl)N AB83942 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.25 c1cnc(c(c1CCCN)F)Cl AB83224 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.25 c1cnc(c(c1CCCN)O)Cl AB84115 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.25 c1cnc(c(c1Cl)F)CCCN AB83141 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.25 c1cnc(c(c1Cl)O)CCCN AB83987 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.25 c1cnc(c(c1F)Cl)CCCN AB83011 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.25 c1cnc(c(c1O)Cl)CCCN AB84060 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.121 COc1c(cccn1)CCCN AB55116 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.121 COc1ccccc1CCC=O AB42265 [0,2,0,0,0,0|0,0,2]=4 470 B12R1.121 COc1ccccc1CCCN AB07599 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.121 COc1ccncc1CCCN AB67903 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.121 c1cc(c(nc1)C#N)CCCN AB67418 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,2,0,0,0,0|0,0,1]=3 474 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,2,0,0,0,0|0,0,1]=3 475 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,2,0,0,0,0|0,0,1]=3 476 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,2,0,0,0,0|0,0,1]=3 477 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,2,0,0,0,0|0,0,1]=3 478 B12R1.267 CNCCCc1ccccc1Br AB38782 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.267 CNCCCc1ccccc1Cl AB38777 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.267 CNCCCc1ccccc1F AB38765 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.267 Cc1ccccc1CCCNC AB38758 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.371 CC(CN)Oc1ccccc1Br AB38866 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.371 CC(CN)Oc1ccccc1Cl AB16403 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.371 CC(CN)Oc1ccccc1F AB23635 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.371 Cc1ccccc1OC(C)CN AB23640 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.374 Cc1cc(c(cn1)C)CCCN AB82533 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.374 Cc1cc(c(nc1)C)CCCN AB82545 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.374 Cc1cc(c(nc1)Cl)CCCN AB83240 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.374 Cc1cc(c(nc1)F)CCCN AB82898 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.374 Cc1ccc(nc1CCCN)C AB82537 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.374 Cc1ccc(nc1CCCN)Cl AB83236 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.374 Cc1ccc(nc1CCCN)F AB82894 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.374 Cc1cnc(cc1CCCN)Cl AB83227 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.374 Cc1cnc(cc1CCCN)F AB82874 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.374 c1c(c(cnc1Cl)F)CCCN AB83097 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.374 c1c(cnc(c1CCCN)Cl)F AB83113 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.374 c1cc(c(cc1F)CCCN)F AB38727 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.374 c1cc(nc(c1F)CCCN)Cl AB83107 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.1631 Cc1c(c(ccn1)Cl)CCCN AB83341 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.1631 Cc1c(c(ccn1)F)CCCN AB83024 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.1631 Cc1ccnc(c1CCCN)C AB82608 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.1631 Cc1ccnc(c1CCCN)Cl AB83346 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.1631 Cc1ccnc(c1CCCN)F AB83060 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.1631 Cc1cncc(c1CCCN)C AB82553 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.1631 Cc1cncc(c1CCCN)Cl AB83257 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.1631 Cc1cncc(c1CCCN)F AB82919 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.1631 c1c(c(c(cn1)Cl)CCCN)F AB83132 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.1631 c1cc(c(c(c1)F)CCCN)F AB38728 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.1631 c1cnc(c(c1Cl)CCCN)F AB83207 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.28 CNCCCc1cccc(c1)Br AB38785 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.28 CNCCCc1cccc(c1)Cl AB38778 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.28 CNCCCc1cccc(c1)F AB38769 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.28 Cc1cccc(c1)CCCNC AB38759 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.50 CC(CN)Oc1cccc(c1)Br AB38868 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.50 CC(CN)Oc1cccc(c1)Cl AB38860 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.50 CC(CN)Oc1cccc(c1)F AB23638 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.50 Cc1cccc(c1)OC(C)CN AB23642 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.100 Cc1cc(cc(n1)CCCN)Cl AB83326 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.100 Cc1cc(cc(n1)CCCN)F AB83041 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.100 Cc1cc(nc(c1)CCCN)C AB82574 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.100 Cc1cc(nc(c1)Cl)CCCN AB83354 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.100 Cc1cc(nc(c1)F)CCCN AB83077 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.100 c1c(cc(cc1F)F)CCCN AB38735 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.100 c1c(cc(nc1CCCN)Cl)F AB83214 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.100 c1c(cc(nc1CCCN)F)Cl AB83182 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [0,2,0,0,0,0|0,0,1]=3 527 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [0,2,0,0,0,0|0,0,2]=4 528 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,2,0,0,0,0|0,0,2]=4 529 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [0,2,0,0,0,0|0,0,1]=3 530 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,2,0,0,0,0|0,0,1]=3 531 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O AB01185 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [0,2,0,0,0,0|0,0,1]=3 533 B12R1.382 CNCCc1cccc(c1)OC AB09810 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.382 COc1cc(ccn1)CCCN AB61457 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.382 COc1cccc(c1)CCC=O AB42268 [0,2,0,0,0,0|0,0,2]=4 536 B12R1.382 COc1cccc(c1)CCCN AB07601 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.382 COc1cccc(n1)CCCN AB55126 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.382 COc1ccnc(c1)CCCN AB67906 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.382 c1cc(nc(c1)C#N)CCCN AB67421 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.382 c1cnc(cc1CCCN)C#N AB67425 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.8 c1ccc(cc1)CCCCCN AB07613 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.8 c1ccc(cc1)COCCCN AB30616 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [0,2,0,0,0,0|0,0,1]=3 547 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [0,2,0,0,0,0|0,0,2]=4 548 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [0,2,0,0,0,0|0,0,1]=3 549 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [0,2,0,0,0,0|0,0,2]=4 550 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [0,2,0,0,0,0|0,0,1]=3 551 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [0,2,0,0,0,0|0,0,1]=3 552 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.43 c1cc(cnc1)CC(C(=O)O)N AB11720 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N AB03059 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB03057 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB13745 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [0,2,0,0,0,0|0,0,1]=3 558 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [0,2,0,0,0,0|0,0,1]=3 559 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [0,2,0,0,0,0|0,0,1]=3 560 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [0,2,0,0,0,0|0,0,1]=3 561 B12R1.43 c1ccnc(c1)CC(C(=O)O)N AB05436 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N AB05414 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.43 c1cnccc1CC(C(=O)O)N AB21677 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.43 c1cnccc1C[C@H](C(=O)O)N AB10088 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.891 CC(C)(CCc1ccccc1)N AB03652 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl AB20716 [0,2,0,0,0,0|1,0,1]=4 567 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [1,0,0,1,0,0|2,0,0]=4 568 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [1,0,0,1,0,0|2,0,0]=4 569 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|2,0,0]=4 570 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|1,0,0]=3 571 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|2,0,0]=4 572 B10R2.7 c1cncc2c1CNC2 AB30511 [1,0,0,1,0,0|2,0,0]=4 573 B10R2.7 c1cncc2c1CNC2 PB24193 [1,0,0,1,0,0|2,0,0]=4 574 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,1,0,1,0,0|1,0,0]=3 575 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,1,0,1,0,0|1,0,0]=3 576 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.24 Cc1cc2c(cn1)CCCN2 AB72995 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.24 Cc1cc2c(cn1)NCCC2 AB73038 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [0,1,0,1,0,0|1,0,0]=3 583 B12R2.24 Cc1ccc2c(c1)NCCO2 AB10553 [0,1,0,1,0,0|1,0,0]=3 584 B12R2.24 Cc1ccc2c(n1)CCCN2 AB76272 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.24 Cc1ccc2c(n1)NCCC2 AB29056 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.24 Cc1ccc2c(n1)NCCO2 AB29049 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.24 c1c(cnc2c1CCCN2)Br AB54509 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.24 c1c(cnc2c1CCCO2)Br AB71711 [0,1,0,1,0,0|1,0,0]=3 589 B12R2.24 c1c(cnc2c1NCCC2)Br AB75329 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.24 c1c(cnc2c1NCCC2)Cl AB74836 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.24 c1c(cnc2c1NCCO2)Br AB70687 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.24 c1c(cnc2c1NCCO2)Cl AB72676 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.24 c1c(cnc2c1OCCN2)Br AB49126 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.24 c1c(cnc2c1OCCN2)Cl AB72671 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.24 c1c(cnc2c1OCCO2)Br AB70711 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.24 c1c2c(cnc1Br)CCCN2 AB72997 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.24 c1c2c(cnc1Br)NCCC2 AB73033 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.24 c1c2c(cnc1Cl)CCCN2 AB72994 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.24 c1c2c(cnc1Cl)NCCC2 AB73031 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.24 c1cc(nc2c1CCCC2)O AB62868 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.24 c1cc(nc2c1NCCC2)Br AB76592 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.24 c1cc(nc2c1NCCC2)Cl AB75331 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.24 c1cc(nc2c1OCCN2)Cl AB72713 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [0,1,0,1,0,0|0,0,2]=4 605 B12R2.24 c1cc2c(cc1Br)CCCN2 PB12808 [0,1,0,1,0,0|1,0,0]=3 606 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [0,1,0,1,0,0|0,0,0]=2 607 B12R2.24 c1cc2c(cc1Br)CCNC2 MB05621 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.24 c1cc2c(cc1Br)CCNC2 PB30910 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.24 c1cc2c(cc1Br)CCOC2 MB09745 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.24 c1cc2c(cc1Br)CNCC2 PB18756 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.24 c1cc2c(cc1Br)NCCC2 PB12525 [0,1,0,1,0,0|1,0,0]=3 612 B12R2.24 c1cc2c(cc1Br)NCCO2 AB45777 [0,1,0,1,0,0|1,0,0]=3 613 B12R2.24 c1cc2c(cc1Br)OCCN2 AB49667 [0,1,0,1,0,0|1,0,0]=3 614 B12R2.24 c1cc2c(cc1Br)OCCO2 AB01820 [0,1,0,1,0,0|1,0,0]=3 615 B12R2.24 c1cc2c(cc1Cl)CCCN2 MB06841 [0,1,0,1,0,0|1,0,0]=3 616 B12R2.24 c1cc2c(cc1Cl)CCNC2 AB28730 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.24 c1cc2c(cc1Cl)CNCC2 AB22480 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.24 c1cc2c(cc1Cl)NCCC2 MB06330 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.24 c1cc2c(cc1Cl)NCCO2 AB45772 [0,1,0,1,0,0|1,0,0]=3 620 B12R2.24 c1cc2c(cc1Cl)OCCN2 AB30914 [0,1,0,1,0,0|1,0,0]=3 621 B12R2.24 c1cc2c(cc1F)CCCN2 MB06900 [0,1,0,1,0,0|1,0,0]=3 622 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [0,1,0,1,0,0|0,0,0]=2 623 B12R2.24 c1cc2c(cc1F)CCNC2 AB28734 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.24 c1cc2c(cc1F)CCOC2 MB09734 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.24 c1cc2c(cc1F)CNCC2 AB13380 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.24 c1cc2c(cc1F)NCCO2 AB45774 [0,1,0,1,0,0|1,0,0]=3 627 B12R2.24 c1cc2c(cc1F)OCCN2 AB64780 [0,1,0,1,0,0|1,0,0]=3 628 B12R2.24 c1cc2c(cc1I)CCCN2 MB08861 [0,1,0,1,0,0|1,0,0]=3 629 B12R2.24 c1cc2c(cc1I)NCCO2 MB06366 [0,1,0,1,0,0|1,0,0]=3 630 B12R2.24 c1cc2c(cc1N)C=NCC2 AB44239 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.24 c1cc2c(cc1N)CCCN2 AB50011 [0,1,0,1,0,0|1,0,0]=3 632 B12R2.24 c1cc2c(cc1N)CCNC2 AB19115 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.24 c1cc2c(cc1N)CCOC2 MB07027 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.24 c1cc2c(cc1N)CNCC2 AB21317 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.24 c1cc2c(cc1N)NCCO2 AB44324 [0,1,0,1,0,0|1,0,0]=3 636 B12R2.24 c1cc2c(cc1N)OCCN2 AB49277 [0,1,0,1,0,0|1,0,0]=3 637 B12R2.24 c1cc2c(cc1O)CCNC2 AB09835 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.24 c1cc2c(cc1O)CNCC2 MB05747 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.24 c1cc2c(cc1O)NCCO2 AB06521 [0,1,0,1,0,0|1,0,0]=3 640 B12R2.24 c1cc2c(cc1O)NCCO2 MB00965 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.24 c1cc2c(cc1O)OCCN2 MB09266 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,1,0,1,0,0|2,0,0]=4 643 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,1,0,1,0,0|1,0,1]=4 644 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,1,0,1,0,0|0,0,0]=2 645 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,1,0,1,0,0|0,1,0]=3 646 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,1,0,1,0,0|1,0,0]=3 647 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,1,0,1,0,0|0,0,0]=2 649 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,1,0,1,0,0|0,0,0]=2 650 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,1,0,1,0,0|1,0,1]=4 651 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,1,0,1,0,0|1,0,0]=3 652 B12R2.79 c1cc(ccc1[C@@H]2C[C@H]2N)F MB69383 [0,1,0,1,0,0|1,0,0]=3 653 B12R2.132 B1(c2cc(ccc2CO1)N)O AB20321 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,1,0,1,0,0|1,0,0]=3 656 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,1,0,1,0,0|1,0,0]=3 657 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,1,0,1,0,0|1,0,0]=3 658 B12R2.132 c1c(cnc2c1C(CC2)N)Br AB70101 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.132 c1c(cnc2c1C(CC2)N)Cl AB70104 [0,1,0,1,0,0|2,0,0]=4 660 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,1,0,0|0,0,2]=4 661 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [0,1,0,1,0,0|1,0,0]=3 662 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [0,1,0,1,0,0|1,0,0]=3 665 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|0,0,2]=4 666 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [0,1,0,1,0,0|1,0,0]=3 667 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [0,1,0,1,0,0|1,0,0]=3 669 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [0,1,0,1,0,0|1,0,0]=3 670 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,1,0,0|0,0,2]=4 671 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [0,1,0,1,0,0|1,0,0]=3 672 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [0,1,0,1,0,0|1,0,0]=3 674 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [0,1,0,1,0,0|1,0,0]=3 675 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,1,0,0|1,0,0]=3 676 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,1,0,0|1,0,0]=3 677 B12R2.294 Cc1ccc(cc1)OC2CC2 MB35889 [0,1,0,1,0,0|2,0,0]=4 678 B12R2.294 c1cc(ccc1N)OC2CC2 MB11809 [0,1,0,1,0,0|2,0,0]=4 679 B12R2.294 c1cc(ccc1O)OC2CC2 MB20165 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.294 c1cc(ccc1OC2CC2)Br MB06312 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.294 c1cc(ccc1OC2CC2)Cl MB49590 [0,1,0,1,0,0|2,0,0]=4 682 B12R2.294 c1cc(ccc1OC2CC2)F MB37870 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.294 c1cc(ccc1OC2CC2)I MB25540 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.2 c1cc(cnc1)C2CCCN2 AB01223 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [0,1,0,1,0,0|1,0,0]=3 686 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [0,1,0,1,0,0|0,0,0]=2 687 B12R2.2 c1ccc(cc1)C2CCNC2 AB09982 [0,1,0,1,0,0|1,0,0]=3 688 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 AB29529 [0,1,0,1,0,0|1,0,0]=3 689 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [0,1,0,1,0,0|1,0,0]=3 690 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AB29532 [0,1,0,1,0,0|1,0,0]=3 691 B12R2.2 c1ccnc(c1)C2CCCN2 PB23261 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.2 c1ccnc(c1)C2CCNC2 AB10236 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.2 c1ccnc(c1)[C@@H]2CCCN2 AB39377 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.2 c1cnccc1C2CCCN2 AB10234 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.2 c1cnccc1C2CCNC2 AB10240 [0,1,0,1,0,0|2,0,0]=4 696 B12R2.2 c1cnccc1[C@@H]2CCCN2 AB49753 [0,1,0,1,0,0|2,0,0]=4 697 B12R2.2 c1cnccc1[C@H]2CCCN2 AB49756 [0,1,0,1,0,0|2,0,0]=4 698 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,1,0,1,0,0|0,0,2]=4 699 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,1,0,1,0,0|0,0,2]=4 700 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [0,1,0,1,0,0|1,0,0]=3 701 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,1,0,1,0,0|1,0,0]=3 702 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [0,1,0,1,0,0|1,0,0]=3 703 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [0,1,0,1,0,0|1,0,0]=3 704 B12R2.116 c1cc(cnc1)C2(CCC2)N AB55049 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.116 c1ccc(cc1)C2(CCC2)N AB45250 [0,1,0,1,0,0|1,0,0]=3 706 B12R2.116 c1ccc(cc1)C2(CNC2)O PB24509 [0,1,0,1,0,0|2,0,0]=4 707 B12R2.116 c1ccc(cc1)C2(COC2)N PB24350 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.116 c1ccc(cc1)C2(COC2)O PB13884 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.116 c1cnccc1C2(CCC2)N AB55050 [0,1,0,1,0,0|2,0,0]=4 710 B12R2.235 c1ccc(cc1)[C@@]2(C[C@@H]2F)N MB69379 [0,1,0,1,0,0|1,0,0]=3 711 B12R2.235 c1ccc(cc1)[C@@]2(C[C@H]2N)F MB69387 [0,1,0,1,0,0|1,0,0]=3 712 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,1,0,1,0,0|1,0,0]=3 713 B12R2.1081 c1c2c(c(cn1)Br)NCCC2 PB28318 [0,1,0,1,0,0|2,0,0]=4 714 B12R2.1081 c1cc(c2c(c1)NCCO2)N MB09299 [0,1,0,1,0,0|1,0,0]=3 715 B12R2.1081 c1cc(c2c(c1)OCCN2)N MB08294 [0,1,0,1,0,0|1,0,0]=3 716 B12R2.1081 c1cc(c2c(c1)OCCO2)N PB30774 [0,1,0,1,0,0|1,0,0]=3 717 B12R2.1081 c1cc(c2c(c1)OCCO2)O MB02241 [0,1,0,1,0,0|1,0,0]=3 718 B12R2.1081 c1cc2c(c(c1)Br)CCCC2 MB06103 [0,1,0,1,0,0|1,0,0]=3 719 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 PB31290 [0,1,0,1,0,0|1,0,0]=3 720 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 PB22176 [0,1,0,1,0,0|2,0,0]=4 721 B12R2.1081 c1cc2c(c(c1)Br)CNCC2 PB28128 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.1081 c1cc2c(c(c1)Br)OCCN2 MB06348 [0,1,0,1,0,0|1,0,0]=3 723 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 MB06321 [0,1,0,1,0,0|1,0,0]=3 724 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 AB45748 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 MB03608 [0,1,0,1,0,0|2,0,0]=4 726 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 AB45195 [0,1,0,1,0,0|2,0,0]=4 727 B12R2.1081 c1cc2c(c(c1)Cl)OCCN2 MB06343 [0,1,0,1,0,0|1,0,0]=3 728 B12R2.1081 c1cc2c(c(c1)F)NCCO2 MB11311 [0,1,0,1,0,0|1,0,0]=3 729 B12R2.1081 c1cc2c(c(c1)F)OCCN2 MB06345 [0,1,0,1,0,0|1,0,0]=3 730 B12R2.1081 c1cc2c(c(c1)N)CCNC2 AB12578 [0,1,0,1,0,0|2,0,0]=4 731 B12R2.1081 c1cc2c(c(c1)O)OCCN2 MB08144 [0,1,0,1,0,0|1,0,0]=3 732 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [0,1,0,1,0,0|1,0,1]=4 733 B12R2.1081 c1cc2c(nc1)C(CCC2)N MB05927 [0,1,0,1,0,0|2,0,0]=4 734 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [0,1,0,1,0,0|1,0,1]=4 735 B12R2.1081 c1cc2c(nc1)CCCC2N PB24835 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,1,0,1,0,0|1,0,1]=4 737 B12R2.1081 c1cc2c(nc1)OCCC2N AB70317 [0,1,0,1,0,0|1,0,0]=3 738 B12R2.1081 c1cc2n(c(=O)c1)CCCN2 MB08868 [0,1,0,1,0,0|2,0,0]=4 739 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,1,0,0|0,0,2]=4 740 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,1,0,0|0,0,1]=3 741 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [0,1,0,1,0,0|1,0,0]=3 742 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,1,0,1,0,0|0,0,0]=2 743 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,1,0,1,0,0|1,0,0]=3 744 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,1,0,1,0,0|1,0,0]=3 745 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,1,0,1,0,0|0,0,2]=4 746 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,1,0,1,0,0|0,0,2]=4 747 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,1,0,0|0,0,2]=4 748 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,1,0,0|0,0,2]=4 749 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,1,0,1,0,0|1,0,0]=3 750 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,1,0,1,0,0|0,0,0]=2 751 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,1,0,1,0,0|0,0,0]=2 752 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,1,0,1,0,0|0,0,0]=2 753 B12R2.1081 c1cnc(c2c1CCCN2)Cl AB64129 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.1081 c1cnc(c2c1NCCC2)Br AB72999 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.1081 c1cnc(c2c1NCCC2)Cl AB64180 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.1081 c1cnc(c2c1NCCO2)Cl AB73008 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.1081 c1cnc2c(c1Br)CCCN2 AB76469 [0,1,0,1,0,0|2,0,0]=4 758 B12R2.1081 c1cnc2c(c1Br)OCCN2 AB77467 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.1081 c1cnc2c(c1Cl)CCCN2 AB77458 [0,1,0,1,0,0|2,0,0]=4 760 B12R2.1081 c1cnc2c(c1Cl)OCCN2 AB77469 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.1081 c1cnc2c(c1I)CCCN2 AB85214 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.1081 c1cncc2c1C(=O)CCC2 AB43737 [0,1,0,1,0,0|1,0,1]=4 763 B12R2.1081 c1cncc2c1C(CCC2)N MB05957 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.1081 c1cncc2c1CCCC2=O MB04519 [0,1,0,1,0,0|1,0,1]=4 765 B12R2.1081 c1cncc2c1CCCC2N MB05952 [0,1,0,1,0,0|2,0,0]=4 766 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [0,1,0,1,0,0|1,0,1]=4 767 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,1,0,0|0,0,2]=4 768 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,1,0,0|0,0,2]=4 769 B12R2.2075 c1ccc(cc1)C(C2CC2)N CB10839 [0,1,0,1,0,0|1,0,0]=3 770 B12R2.32 c1ccc2c(c1)CC(C2)CN AB18567 [0,1,0,1,0,0|1,0,0]=3 771 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [0,1,0,1,0,0|0,0,0]=2 772 B12R2.196 Cc1cccc2c1CCC2N AB38262 [0,1,0,1,0,0|1,0,0]=3 773 B12R2.196 Cc1cccc2c1CC[C@@H]2N AB38266 [0,1,0,1,0,0|1,0,0]=3 774 B12R2.196 Cc1cccc2c1CC[C@H]2N AB38263 [0,1,0,1,0,0|1,0,0]=3 775 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,1,0,0|0,0,2]=4 776 B12R2.196 c1cc2c(c(c1)Br)CCC2N AB38383 [0,1,0,1,0,0|1,0,0]=3 777 B12R2.196 c1cc2c(c(c1)Br)CC[C@@H]2N AB38387 [0,1,0,1,0,0|1,0,0]=3 778 B12R2.196 c1cc2c(c(c1)Br)CC[C@H]2N AB38385 [0,1,0,1,0,0|1,0,0]=3 779 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,1,0,0|0,0,2]=4 780 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [0,1,0,1,0,0|1,0,0]=3 781 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [0,1,0,1,0,0|1,0,0]=3 782 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [0,1,0,1,0,0|1,0,0]=3 783 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,1,0,0|0,0,2]=4 784 B12R2.196 c1cc2c(c(c1)F)CCC2N AB38279 [0,1,0,1,0,0|1,0,0]=3 785 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N AB38283 [0,1,0,1,0,0|1,0,0]=3 786 B12R2.196 c1cc2c(c(c1)F)CC[C@H]2N AB38282 [0,1,0,1,0,0|1,0,0]=3 787 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,1,0,0|0,0,2]=4 788 B12R2.225 Cc1ccccc1OC2CC2 MB25701 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.225 c1ccc(c(c1)N)OC2CC2 MB20137 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.225 c1ccc(c(c1)O)OC2CC2 MB06816 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.225 c1ccc(c(c1)OC2CC2)Br MB25567 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.225 c1ccc(c(c1)OC2CC2)Cl MB36032 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.225 c1ccc(c(c1)OC2CC2)F MB26509 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.225 c1ccc(c(c1)OC2CC2)I MB32394 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,1,0,1,0,0|0,0,2]=4 796 B12R2.612 B1(c2ccc(cc2CO1)F)O MB08883 [0,1,0,1,0,0|2,0,0]=4 797 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,1,0,1,0,0|1,0,0]=3 799 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,1,0,1,0,0|1,0,0]=3 800 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,1,0,1,0,0|1,0,0]=3 801 B12R2.612 c1cc(nc2c1C(CC2)N)Cl AB70096 [0,1,0,1,0,0|2,0,0]=4 802 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,1,0,1,0,0|1,0,0]=3 803 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,1,0,0|0,0,0]=2 804 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,1,0,1,0,0|1,0,0]=3 805 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,1,0,1,0,0|1,0,0]=3 806 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [0,1,0,1,0,0|2,0,0]=4 807 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,1,0,0|0,0,2]=4 808 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,1,0,1,0,0|1,0,0]=3 809 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,1,0,1,0,0|1,0,0]=3 810 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,1,0,1,0,0|1,0,0]=3 811 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [0,1,0,1,0,0|2,0,0]=4 812 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,1,0,0|0,0,2]=4 813 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,1,0,1,0,0|1,0,0]=3 814 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,1,0,1,0,0|1,0,0]=3 815 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,1,0,1,0,0|1,0,0]=3 816 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,1,0,0|0,0,2]=4 818 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,1,0,0|1,0,0]=3 819 B12R2.1286 Cc1cccc(c1)OC2CC2 MB37981 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.1286 c1cc(cc(c1)Br)OC2CC2 MB25628 [0,1,0,1,0,0|2,0,0]=4 821 B12R2.1286 c1cc(cc(c1)Cl)OC2CC2 MB35340 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.1286 c1cc(cc(c1)F)OC2CC2 MB25673 [0,1,0,1,0,0|2,0,0]=4 823 B12R2.1286 c1cc(cc(c1)I)OC2CC2 MB38226 [0,1,0,1,0,0|2,0,0]=4 824 B12R2.1286 c1cc(cc(c1)OC2CC2)N MB11814 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.1286 c1cc(cc(c1)OC2CC2)O MB20161 [0,1,0,1,0,0|2,0,0]=4 826 B12R2.1286 c1cc(cc(c1)S)OC2CC2 MB20192 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.2313 c1cc(cc(c1)Br)C2COC2 PB34845 [0,1,0,1,0,0|2,0,0]=4 828 B12R2.1 CNC1CCc2c1cccc2 AB49601 [0,1,0,1,0,0|1,0,0]=3 829 B12R2.1 CNC1CCc2c1cccn2 AB70125 [0,1,0,1,0,0|2,0,0]=4 830 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,1,0,1,0,0|1,0,0]=3 831 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [0,1,0,1,0,0|1,0,0]=3 832 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,1,0,1,0,0|1,0,0]=3 833 B12R2.2057 c1cc(cnc1)OCC2CC2 MB19960 [0,1,0,1,0,0|2,0,0]=4 834 B12R2.2058 c1ccc(cc1)OC2CNC2 PB16142 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,1,0,1,0,0|1,0,0]=3 836 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [0,1,0,1,0,0|2,0,0]=4 837 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [0,1,0,1,0,0|2,0,0]=4 838 B8R1.8 CNCc1cccs1 AB13997 [1,0,0,0,1,0|2,0,0]=4 839 B8R1.8 c1c(con1)CCO AB22774 [1,0,0,0,1,0|2,0,0]=4 840 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,1,0|2,0,0]=4 841 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,1,0|1,0,0]=3 842 B8R1.8 c1ccn(c1)CCBr MB00850 [1,0,0,0,1,0|2,0,0]=4 843 B8R1.8 c1cscc1CCN PB24618 [1,0,0,0,1,0|2,0,0]=4 844 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,1,0|1,0,0]=3